(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C23H19N3O5/c1-15(27)25-19-7-8-20-18(11-22(28)31-21(20)12-19)14-30-23(29)17-5-3-16(4-6-17)13-26-10-2-9-24-26/h2-12H,13-14H2,1H3,(H,25,27)